GalaxyWater-convolutional neural network (CNN) predicts water positions on protein chains, protein–protein interfaces, and protein–compound binding sites using a 3D-CNN model that is trained to generate a water score map on a given protein structure.
Jun 24, 2022
GalaxyWater-convolutional neural network (CNN) predicts water positions on protein chains, protein-protein interfaces, and protein-compound binding sites using ...
GalaxyWater-convolutional neural network (CNN) predicts water positions on protein chains, protein-protein interfaces, and protein-compound binding sites using ...
31 In our case, we leverage the speed of deep learning image segmentation techniques to quickly and coarsely sample positions with high probability of water ...
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The water position prediction performance and computation time of WatGNN were compared with GalaxyWater-CNN and 3D-RISM on the protein-compound comparison set,.
4 days ago · introduced a method called GalaxyWater-CNN to predict the positions of water molecules on protein structures using 3D CNNs. Their model combined ...
GalaxyWater-CNN: Prediction of Water Positions on the Protein Structure by a 3D-Convolutional Neural Network ... Prediction of homoprotein and heteroprotein ...
Feb 7, 2023 · We examined the feasibility of the neural network using water sites in the protein crystal structures that were not included in the datasets.
GalaxyWater-CNN: Prediction of Water Positions on the Protein Structure by a 3D-Convolutional Neural Network, Journal of Chemical Information and Modeling (2022).
An empirical method, called HydraMap, to predict the favorable hydration sites in the binding pocket of a protein molecule, and the desolvation energy ...